methyl 2-[3-methyl-7-(2-methylprop-2-enyl)-2,6-bis(oxidanylidene)purin-8-yl]sulfanylpropanoate

Systemtic Name: methyl 2-[3-methyl-7-(2-methylprop-2-enyl)-2,6-bis(oxidanylidene)purin-8-yl]sulfanylpropanoate Openeye Name: methyl 2-[3-methyl-7-(2-methylallyl)-2,6-dioxo-purin-8-yl]sulfanylpropanoate CAS Name: 2-[[3-methyl-7-(2-methylprop-2-enyl)-2,6-dioxo-8-purinyl]thio]propanoic acid methyl ester IUPAC Name: methyl 2-[3-methyl-7-(2-methylprop-2-enyl)-2,6-dioxopurin-8-yl]sulfanylpropanoate Traditional Name: 2-[[2,6-diketo-3-methyl-7-(2-methylallyl)purin-8-yl]thio]propionic acid methyl ester Formula: C14H18N4O4S MolecularWeight: 338.38212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)SC1=NC2=C(N1CC(=C)C)C(=O)NC(=O)N2C

Isomeric SMILES

CC(C(=O)OC)SC1=NC2=C(N1CC(=C)C)C(=O)NC(=O)N2C

InChI

InChI=1S/C14H18N4O4S/c1-7(2)6-18-9-10(17(4)13(21)16-11(9)19)15-14(18)23-8(3)12(20)22-5/h8H,1,6H2,2-5H3,(H,16,19,21)